Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 176 for “"structural data"”.
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Investigating the mechanisms of protein synthesis using multi-resolution structural data
… (MDFF) method that combines X-ray and cryo-EM data, furnishing atomic models of the ribosome corresponding to functional intermediates. The MDFF-derived atomic models, combined with molecular dynamics simulations and other computational techniques, allowed us to address different research …
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Improving ligand discovery using deep learning on three-dimensional structural data
… generation. Incorporating three-dimensional (3D) structural data allows to steer prediction and generation towards 3D-dependant properties that are fundamental in hit identification and lead optimization. In this thesis, I first introduce existing deep learning applications in drug discovery, …
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Improved Constrained Global Optimization for Estimating Molecular Structure From Atomic Distances
… The objective functions rely on a vast amount of structural data. As a result, the objective functions are most often nonconvex, nonsmooth, and possess many local minima. Furthermore, introduction of additional structural data into the objective function creates barriers in finding the global …
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The variation of components in the radiation balance over different fynbos vegitation types
… in order to determine whether similar vegetation structural types have similar radiation regimes. In order to do this, six sites were selected in the Cape of Good Hope Nature Reserve. At each site the radiation fluxes were measured for three days during the late summer, giving a total of eighteen …
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Polyoxoniobates: How Solution Chemistry Helps to Understand the Solid State
A structural model is proposed for the chemical B-site ordering in relaxor ferroelectric Pb3ZnNb2O9 and Pb3MgNb 2O9. The basis for this model is the imposition of order using a divalent cation nearest-neighbor exclusion algorithm on a random cubic lattice with 2:1 Nb:(Mg/Zn) occupancy. The ordered …
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Geração automática de dados para projeto e análise de plataformas “offshore”
This work describes an automated data generator developed as a problem oriented language, directed to design and analysis of offshore platforms. Structural modeling includes the jacket, main and skirt piles, deck legs and conductor pipes. Platform topology specification is given by general …
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Network-Level Structural Condition Data for Sustainable Pavement Asset Management
… of pavements, they do not directly capture the structural capacity that influences long-term performance. As a result, agencies risk selecting treatments that are either insufficient for addressing underlying structural deficiencies or unnecessarily conservative, leading to inefficient …
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Structural Evolution of the Beaver Lodge Portion of the Nesson Anticline, North Dakota
<p>The structural development in the area of Beaver Lodge Field, Williams County, North Dakota, has been determined from Cambrian (Deadwood) through Late Cretaceous (Greenhorn) time. Detailed structural data defines two areas of structural closure occurring along a basement structural trend. One of …
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Structural Studies into the Mechanism and Organisation of Mammalian Respiratory Complex I
… over a long range. However, there is a lack of structural data for complex I in different induced protonation states and, consequently, in support of proposals for how proton translocation is regulated across its hydrophilic central axis. Secondly, structural information for complex I and its …
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DNA structural selectivity of binding by the Pol I DNA polymerases from Escherichia coli and Thermus aquaticus
… enzyme <I>in vivo</I>. Due to their sequence and structural similarities, Klenow and Klentaq, the “large fragments” of the Pol I DNA polymerases from <I>Escherichia coli</I> and <I>Thermus aquaticus</I>, are considered functional homologues. Klentaq, however, does not have a functional …
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Structure and molecular recognition in riboswitches
… system for RNA-ligand docking. Published binding data was successfully reproduced in silico and compounds predicted to bind the riboswitch in a virtual screening were tested experimentally. Structural data confirming the predicted binding mode for several cases was obtained. The problems …
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Developing Advanced Representation Learning Techniques for mRNA Sequence and Structure Modeling
… mRNA sequences and structures without explicit structural data, effectively capturing sequence-structure dependencies. Evaluations show StructmRNA outperforms existing models in predicting mRNA degradation and secondary structure. Experiments with GAN-generated RNA sequences showed no …
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Development and Application of Pseudoreceptor Modeling
… use information from ligands and not protein structural data. However, a derivation of QSAR methods are pseudoreceptor methods. Pseudoreceptor methods go beyond standard QSAR by building a model representation of the protein pocket. However, the ability of pseudoreceptors to accurately …
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Conformational analysis and dielectric relaxation of polycarbosilanes and related materials
… behaviour has been undertaken. Along with their structural data, the results obtained were employed to calculate a variety of conformationally-dependent properties for these polymers, including the characteristic ratio, the dipole moment ratio and the mean-square radius of gyration. In addition, …
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Processes and rates of arc crust growth and differentiation in the Southern Sierra Nevada crustal section
… crustal section. Chapter 1 presents new magmatic structural data and whole rock geochemical data that highlight a discontinuity in the BVIS between a lower crust dominated by originally shallowly lying mafic cumulates and an upper crust dominated by steeply oriented felsic intrusives. These …
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Computational analysis, design, and experimental validation of antibody binding affinity improvements beyond in vivo maturation
… using a combination of high-resolution structural data and physics-based molecular models. First, computational analysis was used to investigate the molecular basis for the affinity improvement of over 1000-fold of the fluorescein-binding antibody variant 4M5.3, engineered previously …
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Standardized structural design for post-disaster modular housing units under clustered environmental loads
… in the post-disaster housing response from a structural engineering perspective, proposing a new methodology to approach a multi-design standardized solution. Known environmental loading taken from building codes is analyzed over the entire United States to create a data-set that describes the …
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Geographic information system (GIS) integration of geological, geochemical and geophysical data from the Aggeneys base metal province, South Africa
… processing, analysis and presentation of spatial data sets. GIS can effectively interrogate large multidisciplinary exploration data sets in the search for new mineral exploitation targets. A spatial database, the AGGeneys Exploration Database (AGGED), has been created, comprising exploration data …
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Approaches to determining the three-dimensional structure and dynamics of bacterial chromosomes
… The signals generated recapitulate both known structural data from microscopy and functional data on genome-wide transcription levels.
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